output formatting

[mcguirepatr]

Hello: I wasn't sure whether to raise a pull request or an issue for this. The fork I made to the repository now has a branch, which I call output_format1. This is to get the output so that it can be plotted by gnuplot on a linux machine. Most of the changes I have in here are actually debug print statements, which probably you don't want to merge into the trunk. But there are a few things that would make my life a bit easier if I don't need to change my local branch copy each time the base repository trunk is changed.

For example, some of the data columns have headers, which in the trunk are broken strings with spaces in between them (for example, 'WC 9'). I think I fixed them with code something like this:

4230c4237
<             write(Str1, '(i2)') Compi
---
>             write(Str1, '(i0.2)') Compi

Also, some of the output lines could have a # at the beginning, to signify that they are comments. And some of the output lines that are in the middle of the output files could be skipped entirely, so that a program like gnuplot could plot the uninterrupted columns of data.

Anyways, the code in this PR minus the debugging print statements produces output that is easily plottable by gnuplot. Maybe it's useful in some way? Patrick McGuire